Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties

Yanan Li; Tao Yu; Yiying Zhang; Jianjian Hu; Tao Chen; Yinglei Wang; Kangzhen Xu

doi:10.3389/fchem.2019.00672

Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties

Front Chem. 2019 Oct 15:7:672. doi: 10.3389/fchem.2019.00672. eCollection 2019.

Authors

Yanan Li¹, Tao Yu^{1

2}, Yiying Zhang¹, Jianjian Hu¹, Tao Chen¹, Yinglei Wang¹, Kangzhen Xu³

Affiliations

¹ State Key Laboratory of Fluorine & Nitrogen Chemicals, Xi'an Modern Chemistry Research Institute, Xi'an, China.
² School of Chemistry and Chemical Engineering, Southeast University, Nanjing, China.
³ School of Chemical Engineering, Northwest University, Xi'an, China.

Abstract

In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)-based bimetallic energetic coordination polymers, MK₂(DNAT)₂·4H₂O [M = Fe, Cu, Ni, Co, and Zn], were designed and synthesized in a simple and convenient self-assembly synthetic process. The obtained compounds were fully characterized by IR spectroscopy, multinuclear NMR spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). Additionally, the structures of target compounds were confirmed by single-crystal X-ray diffraction. Based on the room-temperature X-ray densities (2.095-2.138 g cm^-3) and the calculated (CBS-QB3) heats of formation (-41.3 to 170.5 kJ mol^-1), the detonation properties such as detonation velocities (8,147.0-8,478.4 m s^-1) and detonation pressures (29.7-32.8 GPa) were computed using the EXPLO5 v6.04 program. Their excellent energetic properties indicated that they could serve as promising "green" primary explosives for replacement of lead azide (LA).

Keywords: bimetallic energetic coordination; crystal structure; primary explosive; property; synthesis.